CID 43344

60559-94-6

Structural Information

Molecular Formula
C11H15N5
SMILES
CC(C)(C)N=C(NC#N)NC1=CN=CC=C1
InChI
InChI=1S/C11H15N5/c1-11(2,3)16-10(14-8-12)15-9-5-4-6-13-7-9/h4-7H,1-3H3,(H2,14,15,16)
InChIKey
TXXOFXVEUPZZHB-UHFFFAOYSA-N
Compound name
2-tert-butyl-1-cyano-3-pyridin-3-ylguanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

19
Patents

217.13275 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.140026 156.0
[M+Na]+ 240.121968 162.5
[M-H]- 216.125474 158.3
[M+NH4]+ 235.166573 170.8
[M+K]+ 256.095908 160.9
[M+H-H2O]+ 200.130010 141.4
[M+HCOO]- 262.130951 176.4
[M+CH3COO]- 276.146601 207.0
[M+Na-2H]- 238.107416 162.5
[M]+ 217.13220142 149.1
[M]- 217.13329858 149.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe